Basic information
- CAS
25631-05-4- Standard SMILES
NC(Cc1c[nH]c2cccc(F)c12)C(=O)O- InChIKey
DEBQMEYEKKWIKC-UHFFFAOYSA-N- Molecular formula
- C11H11FN2O2
- Average molar mass
- 222.22 g/mol
- Monoisotopic mass
- 222.08045576
Overview
RN given refers to cpd without isomeric designation
Names & identifiers
- Preferred name
- 4-Fluorotryptophan
- IUPAC
- 2-amino-3-(4-fluoro-1H-indol-3-yl)propanoic acid
- English name
- 4-fluorotryptophan
- Molecular weight
- 0
Names & synonyms
4-Fluorotryptophan25631-17-8RefChem:9125254-Fluoro-DL-tryptophan25631-05-42-amino-3-(4-fluoro-1H-indol-3-yl)propanoic acidMFCD000396894-Fluoro-D,L-tryptophanH-DL-Trp(4-F)-OHTryptophan, 4-fluoro-Dl-2-amino-3-(4-fluoroindolyl)propionic acidNSC 529108
Show more names
4-Fluoro-L-tryptophan(αS)-4-Fluoro-α-amino-1H-indole-3-propanoic acid
NSC-529108DL-4-FLUOROTRYPTOPHANSCHEMBL1727642CHEMBL4078473SCHEMBL18029333DTXSID302759614-Fluoro-DL-tryptophan, crystallineNSC529108
Database identifiers
- CAS
25631-05-4、25631-17-8- PubChem CID
- 101198
- DTXSID
DTXSID30275961- ChEMBL
CHEMBL4078473- EC Number
- 671-597-9
- Nikkaji
- J3.047.509G
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 79.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 275
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Suppliers30 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海吉尔多肽有限公司+86-21-61263310 13764994101 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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